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CHEBI:196684 - DG(16:1n7/0:0/22:6n3)

ChEBI IDCHEBI:196684
ChEBI NameDG(16:1n7/0:0/22:6n3)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H66O5
Net Charge0
Average Mass638.974
Monoisotopic Mass638.49103
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](O)COC(=O)CCCCC/C=C\CCCCCCCC
InChIInChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-26,30,32,39,42H,3-4,6,8-10,12,14-16,19,22,27-29,31,33-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-,26-24-,32-30-/t39-/m1/s1
InChIKeyLDJDIOMTMCHYMU-ONMFJTACSA-N
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
DG(16:1n7/0:0/22:6n3) (CHEBI:196684) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-3-[(Z)-hexadec-7-enoyl]oxy-2-hydroxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
74854533ChemSpider
HMDB0056176HMDB